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Compound Detail

CHEMBL4744712

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COc1cc2c3c(c4ccc(OC(=O)N(C)C)cc4c2cc1OC)CN1CCC[C@H]1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744712
Phase Preclinical
Structure Type MOL
InChI Key HHLWZWYZTFIRQJ-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.59
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O4
MW 420.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
31171403 10.1016/j.bmc.2019.05.030 Bel-7402 1
31171403 10.1016/j.bmc.2019.05.030 HL-60 1

Data from ChEMBL 36 via Core Engine